@article{kitchin-2015-examp,
  author =	 {Kitchin, John R.},
  title =	 {Examples of Effective Data Sharing in Scientific Publishing},
  journal =	 {ACS Catalysis},
  volume =	 {5},
  number =	 {6},
  pages =	 {3894-3899},
  year =	 2015,
  doi =		 {10.1021/acscatal.5b00538},
  url =		 { http://dx.doi.org/10.1021/acscatal.5b00538 },
  keywords =	 {DESC0004031, early-career, orgmode, Data sharing },
  eprint =	 { http://dx.doi.org/10.1021/acscatal.5b00538 },
}

@article{xu-2015-relat,
  author =	 {Zhongnan Xu and John R. Kitchin},
  title =	 {Relationships Between the Surface Electronic and Chemical
                  Properties of Doped 4d and 5d Late Transition Metal Dioxides},
  keywords =	 {orgmode},
  journal =	 {The Journal of Chemical Physics},
  volume =	 142,
  number =	 10,
  pages =	 104703,
  year =	 2015,
  doi =		 {10.1063/1.4914093},
  url =		 {http://dx.doi.org/10.1063/1.4914093},
  date_added =	 {Sat Oct 24 10:57:22 2015},
}


@article{xu-2015-tunin-oxide,
  author =	 {Zhongnan Xu and John R. Kitchin},
  title =	 {Tuning Oxide Activity Through Modification of the Crystal and
                  Electronic Structure: From Strain To Potential Polymorphs},
  journal =	 {Phys. Chem. Chem. Phys.},
  volume =	 17,
  number =	 43,
  pages =	 {28943-28949},
  year =	 2015,
  doi =		 {10.1039/c5cp04840k},
  url =		 {http://dx.doi.org/10.1039/C5CP04840K},
  date_added =	 {Sat Dec 19 07:16:55 2015},
}

@article{curnan-2015-inves-energ,
  author =       {Matthew Curnan and John R. Kitchin},
  title =        {Investigating the Energetic Ordering of Stable and Metastable
                  TiO$_2$ Polymorphs Using DFT+U and Hybrid Functionals},
  journal =      {The Journal of Physical Chemistry C},
  volume =	 {119},
  year =         2015,
  doi =          {10.1021/acs.jpcc.5b05338},
  url =          { http://dx.doi.org/10.1021/acs.jpcc.5b05338 },
  eprint =       { http://dx.doi.org/10.1021/acs.jpcc.5b05338 },
}

@article{akhade-2012-effec,
  author =	 {Akhade, Sneha and Kitchin, John R.},
  title =	 {Effects of Strain, d-Band Filling, and Oxidation State on the
                  Surface Electronic Structure and Reactivity of 3d Perovskite
                  Surfaces},
  journal =	 {J. Chem. Phys.},
  volume =	 137,
  pages =	 084703,
  year =	 2012,
  doi =		 {10.1063/1.4746117},
  url =
                  {http://scitation.aip.org/content/aip/journal/jcp/137/8/10.1063/1.4746117},
  keywords =	 {DESC0004031, early-career, },
  type =	 {Journal Article},
}

@article{kitchin-2008-alloy,
  author =	 {Kitchin, J. R. and Reuter, K. and Scheffler, M.},
  title =	 {Alloy Surface Segregation in Reactive Environments:
                  {F}irst-Principles Atomistic Thermodynamics Study of
                  \ce{Ag_3Pd}(111) in Oxygen Atmospheres},
  journal =	 {Physical Review B},
  volume =	 77,
  number =	 7,
  pages =	 075437,
  year =	 2008,
  doi =		 {10.1103/PhysRevB.77.075437},
  abstract =	 {We present a first-principles atomistic thermodynamics
                  framework to describe the structure, composition, and
                  segregation profile of an alloy surface in contact with a
                  (reactive) environment. The method is illustrated with the
                  application to a Ag3Pd(111) surface in an oxygen atmosphere,
                  and we analyze trends in segregation, adsorption, and surface
                  free energies. We observe a wide range of oxygen adsorption
                  energies on the various alloy surface configurations,
                  including binding that is stronger than on a Pd(111) surface
                  and weaker than that on a Ag(111) surface. This and the
                  consideration of even small amounts of nonstoichiometries in
                  the ordered bulk alloy are found to be crucial to accurately
                  model the Pd surface segregation occurring in increasingly
                  O-rich gas phases.},
  issn =	 {1098-0121},
  type =	 {Journal Article},
}

@article{kitchin-2004-role,
  author =	 {Kitchin, J. R. and N{\o}rskov, J. K. and Barteau, M. A. and
                  Chen, J.  G.},
  title =	 {Role of Strain and Ligand Effects in the Modification of the
                  Electronic and Chemical Properties of Bimetallic Surfaces},
  journal =	 {Physical Review Letters},
  volume =	 93,
  number =	 15,
  pages =	 156801,
  year =	 2004,
  doi =		 {10.1103/PhysRevLett.93.156801},
  abstract =	 {Periodic density functional calculations are used to
                  illustrate how the combination of strain and ligand effects
                  modify the electronic and surface chemical properties of Ni,
                  Pd, and Pt monolayers supported on other transition
                  metals. Strain and the ligand effects are shown to change the
                  width of the surface d band, which subsequently moves up or
                  down in energy to maintain a constant band filling. Chemical
                  properties such as the dissociative adsorption energy of
                  hydrogen are controlled by changes induced in the average
                  energy of the d band by modification of the d-band width.},
  issn =	 {0031-9007},
  type =	 {Journal Article},
}


@article{Abild-Pedersen2007,
  abstract =	 {Density functional theory calculations are presented for CHx,
                  x=0,1,2,3, NHx, x=0,1,2, OHx, x=0,1, and SHx, x=0,1 adsorption
                  on a range of close-packed and stepped transition-metal
                  surfaces. We find that the adsorption energy of any of the
                  molecules considered scales approximately with the adsorption
                  energy of the central, C, N, O, or S atom, the scaling
                  constant depending only on x. A model is proposed to
                  understand this behavior. The scaling model is developed into
                  a general framework for estimating the reaction energies for
                  hydrogenation and dehydrogenation reactions.},
  author =	 {Abild-Pedersen, F. and Greeley, J. and Studt, F. and
                  Rossmeisl, J. and Munter, T. R. and Moses, P. G. and
                  Sk{\'{u}}lason, E. and Bligaard, T. and N{\o}rskov, J. K.},
  doi =		 {10.1103/PhysRevLett.99.016105},
  file =
                  {:Users/jkitchin/Dropbox/bibliography/bibtex-pdfs/abild-pedersen-2007-scalin-proper.pdf:pdf},
  isbn =	 {0031-9007},
  issn =	 {00319007},
  journal =	 {Physical Review Letters},
  number =	 {1},
  pages =	 {4--7},
  pmid =	 {17678168},
  title =	 {{Scaling properties of adsorption energies for
                  hydrogen-containing molecules on transition-metal surfaces}},
  volume =	 {99},
  year =	 {2007}
}

@article{jk-2021,
  author =	 {John R. Kitchin},
  title =	 {Simple title},
  keywords =	 {orgmode},
  journal =	 {The Journal of Reproducible Science},
  volume =	 1,
  number =	 1,
  pages =	 1,
  year =	 2021,
}